N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide

C23H28N6O3S — CID 70346311

IUPACN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
SMILESCc1noc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)n1
InChIInChI=1S/C23H28N6O3S/c1-15(2)12-22(23-25-16(3)27-32-23)28(5)33(30,31)19-8-6-18(7-9-19)14-29-17(4)26-20-13-24-11-10-21(20)29/h6-11,13,15,22H,12,14H2,1-5H3
InChIKeyYIMJKOMFLIJIJL-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.89
Rot. Bonds8

About N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide (PubChem CID 70346311) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
PubChem CID70346311
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
SMILESCc1noc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)n1
InChIInChI=1S/C23H28N6O3S/c1-15(2)12-22(23-25-16(3)27-32-23)28(5)33(30,31)19-8-6-18(7-9-19)14-29-17(4)26-20-13-24-11-10-21(20)29/h6-11,13,15,22H,12,14H2,1-5H3
InChIKeyYIMJKOMFLIJIJL-UHFFFAOYSA-N
XLogP3.89
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
CID 70346332
N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide
CID 70345647
N-[(2S)-1-methoxy-3-methylpentan-2-yl]-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626291
benzyl (2S)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18650939
(2S)-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67745353
ethyl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]pentanoate
CID 11017302
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
CID 67625287
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(4-methyl-1-morpholin-4-ylpentan-2-yl)benzenesulfonamide
CID 67624887
N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
CID 22408404
N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626297
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-prop-2-enoxypentan-2-yl]benzenesulfonamide
CID 67625068
5-[[4-[[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135542374

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide (CID 70346311) is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide is Cc1noc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)n1.
What is the InChIKey of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide?
The InChIKey is YIMJKOMFLIJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-15(2)12-22(23-25-16(3)27-32-23)28(5)33(30,31)19-8-6-18(7-9-19)14-29-17(4)26-20-13-24-11-10-21(20)29/h6-11,13,15,22H,12,14H2,1-5H3.
What are the key properties of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide?
N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide has a molecular weight of 468.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 70346311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).